Glycoside
...
GD125304

Name:
8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-4,6a,6b,11,11,14b-hexamethyl-2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C53H82O24

Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(=O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -2.12 Num_rotatable_bonds: 11
MolWt: 1103.22 Num_heavy_atoms: 77
TPSA: 388.04 NumAromaticRings: 0

Unique Aglycone
AD50673
Formula: C30H44O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.48 Num_rotatable_bonds: 2
MolWt: 500.68 Num_heavy_atoms: 36
TPSA: 111.9 NumAromaticRings: 0

Sugarmoiety
SD06461

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O